ethyl 4-amino-9-benzyl-2-methyl-5,6,7,8-tetrahydro-9H-pyrido<2,3-b>indole-3-carboxylate | 61479-29-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: ethyl 4-amino-9-benzyl-2-methyl-5,6,7,8-tetrahydro-9H-pyrido<2,3-b>indole-3-carboxylate
• 英文别名: 4-amino-9-benzyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-3-carboxylic acid ethyl ester；4-Amino-9-benzyl-2-methyl-5,6,7,8-tetrahydro-9H-pyrido[2,3-b]indole-3-carboxylic acid, ethyl ester；ethyl 4-amino-9-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-3-carboxylate
• CAS: 61479-29-6
• 化学式: C₂₂H₂₅N₃O₂
• 分子量: 363.459
• InChiKey: JBTZIBNQOMVQKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4-amino-9-benzyl-2-methyl-5,6,7,8-tetrahydro-9H-pyrido<2,3-b>indole-3-carboxylate 在 三氯化铝 、 氯化亚砜 、 sodium hydride 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 甲醇 、 苯 为溶剂， 反应 40.25h， 生成 methyl 4-amino-2,9-dimethyl-9H-pyrido<2,3-b>indole-3-carboxylate
  参考文献：
  名称：

  Forbes, Ian T.; Johnson, Christopher N.; Thompson, Mervyn, Journal of the Chemical Society. Perkin transactions I, 1992, # 2, p. 275 - 282

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-3-(1-Benzyl-3-cyano-4,5,6,7-tetrahydro-1H-indol-2-ylamino)-but-2-enoic acid ethyl ester 以76%的产率得到
  参考文献：
  名称：

  ZIMMERMANN W.; EGER K.; ROTH H. J., ARCH. PHARM. , 1976, 309, NO 7, 597-600

  摘要：

  DOI：

文献信息

• 9H-pyrido[2,B-8]indole-3-carboxylic acid ester compounds having useful
  申请人：Beecham Group p.l.c.

  公开号：US04952584A1

  公开（公告）日：1990-08-28

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: ##STR1## wherein: R.sub.1 is hydrogen, C.sub.1-6 alkyl, phenyl or phenyl C.sub.1-4 alkyl wherein the phenyl moiety is optionally substituted by one or more C.sub.1-6 alkyl, C.sub.1-6 alkoxy, C.sub.1-6 alkylthio, hydroxy, C.sub.2-7 alkanoyl, halo, trifluoromethyl, nitro, amino optionally substituted by one or two C.sub.1-6 alkyl groups or by C.sub.2-7 alkanoyl, cyano, carbamoyl or carboxy groups; R.sub.2, R.sub.3 and R.sub.4 are independently selected from hydrogen, C.sub.1-6 alkyl, C.sub.1-6 alkoxy, C.sub.1-6 alkoxycarbonyl, C.sub.1-6 alkylthio, hydroxy, C.sub.2-7 alkanoyl, chloro, fluoro, trifluoromethyl, nitro, amino optionally substituted by one or two C.sub.1-6 alkyl groups or by C.sub.2-7 alkanoyl, cyano, carbamoyl and carboxy, and phenyl, phenyl C.sub.1-4 alkyl or phenyl C.sub.1-4 alkoxy in which any phenyl moiety is optionally substituted by any of these groups; R.sub.5 and R.sub.6 are independently selected from hydrogen, C.sub.1-6 alkyl, C.sub.3-7 cycloalkyl, C.sub.3-7 cycloalkyl-C.sub.1-4 alkyl, C.sub.2-6 alkenyl, C.sub.1-7 alkanoyl, C.sub.1-6 alkylsulphonyl, di-(C.sub.1-6 alkyl)amino C.sub.1-6 alkyl, 3-oxobutyl, 3-hydroxybutyl, phenyl, phenyl C.sub.1-4 alkyl, benzoyl, phenyl C.sub.2-7 alkanoyl or benzenesulphonyl any of which phenyl moieties are optionally substituted by one or two halogen, C.sub.1-6 alkyl, C.sub.1-6 alkoxy, CF.sub.3, amino or carboxy, or R.sub.5 and R.sub.6 together are C.sub.2-6 polymethylene optionally interrupted by oxygen or NR.sub.9 wherein R.sub.9 is hydrogen or C.sub.1-6 alkyl optionally substituted by hydroxy; R.sub.7 is hydrogen, C.sub.1-6 alkyl, C.sub.3-6 cycloalkyl, C.sub.3-6 cycloalkyl-C.sub.1-4 alkyl, C.sub.2-6 alkenyl or C.sub.2-6 alkynyl; and --CO.sub.2 R.sub.8 is a pharmaceutically acceptable ester group, processes for its preparation and its use for the treatment or prophylaxis of anxiety or depression.

  化合物式（I）或其药学上可接受的盐：##STR1## 其中：R.sub.1是氢、C.sub.1-6烷基、苯基或苯基C.sub.1-4烷基，其中苯基部分可选择性地被一个或多个C.sub.1-6烷基、C.sub.1-6烷氧基、C.sub.1-6烷基硫基、羟基、C.sub.2-7烷酰基、卤、三氟甲基、硝基、氨基（可选择性地被一个或两个C.sub.1-6烷基或C.sub.2-7烷酰基取代）、氰基、氨基甲酰基或羧基取代；R.sub.2、R.sub.3和R.sub.4独立选择自氢、C.sub.1-6烷基、C.sub.1-6烷氧基、C.sub.1-6烷氧羰基、C.sub.1-6烷基硫基、羟基、C.sub.2-7烷酰基、氯、氟、三氟甲基、硝基、氨基（可选择性地被一个或两个C.sub.1-6烷基或C.sub.2-7烷酰基取代）、氰基、氨基甲酰基和羧基、苯基、苯基C.sub.1-4烷基或苯基C.sub.1-4烷氧基，其中任何苯基部分可选择性地被任何这些基团之一取代；R.sub.5和R.sub.6独立选择自氢、C.sub.1-6烷基、C.sub.3-7环烷基、C.sub.3-7环烷基-C.sub.1-4烷基、C.sub.2-6烯基、C.sub.1-7烷酰基、C.sub.1-6烷基磺酰基、二-(C.sub.1-6烷基)氨基C.sub.1-6烷基、3-氧代丁基、3-羟基丁基、苯基、苯基C.sub.1-4烷基、苯甲酰基、苯基C.sub.2-7烷酰基或苯磺酰基，其中任何苯基部分可选择性地被一个或两个卤、C.sub.1-6烷基、C.sub.1-6烷氧基、CF.sub.3、氨基或羧基取代，或R.sub.5和R.sub.6一起是C.sub.2-6聚亚甲基，可选择性地被氧或NR.sub.9中断，其中R.sub.9是氢或C.sub.1-6烷基，可选择性地被羟基取代；R.sub.7是氢、C.sub.1-6烷基、C.sub.3-6环烷基、C.sub.3-6环烷基-C.sub.1-4烷基、C.sub.2-6烯基或C.sub.2-6炔基；和--CO.sub.2R.sub.8是药学上可接受的酯基，其制备方法及其用于治疗或预防焦虑或抑郁症的用途。
• Forbes, Ian T.; Johnson, Christopher N.; Thompson, Mervyn, Journal of the Chemical Society. Perkin transactions I, 1992, # 2, p. 275 - 282
  作者：Forbes, Ian T.、Johnson, Christopher N.、Thompson, Mervyn

  DOI：——

  日期：——
• ZIMMERMANN W.; EGER K.; ROTH H. J., ARCH. PHARM. <APBD-AJ>, 1976, 309, NO 7, 597-600
  作者：ZIMMERMANN W.、 EGER K.、 ROTH H. J.

  DOI：——

  日期：——